2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride

C13H18ClF2N3O3S — CID 119967328

IUPAC2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1c(F)cccc1F.Cl
InChIInChI=1S/C13H17F2N3O3S.ClH/c1-17(9-12(19)18-7-5-16-6-8-18)22(20,21)13-10(14)3-2-4-11(13)15;/h2-4,16H,5-9H2,1H3;1H
InChIKeyYQHVTUCFFHJAEF-UHFFFAOYSA-N
MW369.82 g/mol
LogP0.44
Rot. Bonds4

About 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride

2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119967328) has the molecular formula C13H18ClF2N3O3S and a molecular weight of 369.82 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119967328
Molecular FormulaC13H18ClF2N3O3S
Molecular Weight369.82 g/mol
Exact Mass369.07
IUPAC Name2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1c(F)cccc1F.Cl
InChIInChI=1S/C13H17F2N3O3S.ClH/c1-17(9-12(19)18-7-5-16-6-8-18)22(20,21)13-10(14)3-2-4-11(13)15;/h2-4,16H,5-9H2,1H3;1H
InChIKeyYQHVTUCFFHJAEF-UHFFFAOYSA-N
XLogP0.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967473
2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368
2,3,4-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707682
4-chloro-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967488
N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55623713
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018551
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
2-bromo-4-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967511
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride (CID 119967328) is 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1c(F)cccc1F.Cl.
What is the InChIKey of 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is YQHVTUCFFHJAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3S.ClH/c1-17(9-12(19)18-7-5-16-6-8-18)22(20,21)13-10(14)3-2-4-11(13)15;/h2-4,16H,5-9H2,1H3;1H.
What are the key properties of 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride?
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 369.82 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119967328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).